Vitas-M small molecule compound
5-bromo-1,3-dimethyl-6-({(Z)-[3-methyl-1-(3-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)-1,3-dihydro-2H-benzimidazol-2-one
Catalog ID
STL359748
SMILES Cc1cccc(c1)N1N=C(/C(=C/Nc2cc3c(cc2Br)n(c(=O)n3C)C)/C1=O)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H20BrN5O2 MW 454.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN5O2/c1-12-6-5-7-14(8-12)27-20(28)15(13(2)24-27)11-23-17-10-19-18(9-16(17)22)25(3)21(29)26(19)4/h5-11,23H,1-4H3/b15-11-InChIKey
DOVZDGKHWUMSDS-PTNGSMBKSA-NSynonyms
5bromo13dimethyl6(((Z)(3methyl1(3methylphenyl)5oxo15dihydro4Hpyrazol4ylidene)methyl)amino)13dihydro2Hbenzimidazol2one
5bromo13dimethyl6(((Z)(3methyl1(3methylphenyl)5oxopyrazol4ylidene)methyl)amino)benzimidazol2one
CC1=CC(=CC=C1)N2C(=O)C(=CNC3=C(C=C4C(=C3)N(C(=O)N4C)C)Br)C(=N2)C
Cc1cccc(c1)N1N=C(C(=CNc2cc3c(cc2Br)n(c(=O)n3C)C)C1=O)C
InChI=1SC21H20BrN5O2c11265714(812)2720(28)15(13(2)2427)112317101918(916(17)22)25(3)21(29)26(19)4h51123H14H3b1511
MFCD28033783
ZINC000095471607
ZINC95471607
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